2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole

C24H22N6 — CID 176978800

IUPAC2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C24H22N6/c1-4-30-22-12-10-17(23-26-28-29-27-23)14-21(22)25-24(30)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H,26,27,28,29)
InChIKeyDGGNBIFEBCFLKL-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.19
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole (PubChem CID 176978800) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
PubChem CID176978800
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C24H22N6/c1-4-30-22-12-10-17(23-26-28-29-27-23)14-21(22)25-24(30)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H,26,27,28,29)
InChIKeyDGGNBIFEBCFLKL-UHFFFAOYSA-N
XLogP5.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
CID 176978723
4-[[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 176978645
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 176978642
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
CID 58389750
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
1-ethyl-5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2-phenylbenzimidazole
CID 167412667

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole (CID 176978800) is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole is CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nn[nH]n3)ccc21.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole?
The InChIKey is DGGNBIFEBCFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-4-30-22-12-10-17(23-26-28-29-27-23)14-21(22)25-24(30)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H,26,27,28,29).
What are the key properties of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole?
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole has a molecular weight of 394.48 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole is sourced from PubChem (CID 176978800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).